SCHEMBL645618

SCHEMBL645618

Nc1cc(-c2ccoc2)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
KMT2A Q03164 3/20 0.40
SUV39H1 O43463 1/20 0.40
PRMT3 O60678 1/20 0.40
PRMT9 Q6P2P2 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40
DOT1L Q8TEK3 1/20 0.40
PRMT1 Q99873 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
CHEK1 O14757 1/20 0.40
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL646028 0.74 TP53 (0.63) KMT2ASUV39H1PRMT3PRMT9BCDIN3D
SCHEMBL168659 0.74 POLB (0.61) PIM1CHEK1CYP1A2CLK4TP53
SCHEMBL28466328 0.74 ALPL (0.58) KMT2AALDH1A1MEN1CYP3A4TP53
SCHEMBL238785 0.72 MKNK2 (0.47) PIM1KMT2AALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL9124767 0.72 ALPL (0.56) KMT2AALDH1A1HSD17B10MEN1CYP3A4
SCHEMBL19732751 0.72 ALDH1A1 (0.53) PIM1KMT2ACHEK1ALDH1A1HSD17B10
SCHEMBL13151786 0.72 CYP1A2 (0.56) PIM1KMT2ASUV39H1PRMT3PRMT9
SCHEMBL14699522 0.72 POLB (0.68) PIM1KMT2AALDH1A1MEN1CYP1A2
SCHEMBL244618 0.71 ALPL (0.54) KMT2AALDH1A1MEN1USP2TP53
SCHEMBL18966078 0.71 METAP2 (0.46) ADORA3ALPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI PIM1 2647/4885KMT2A 2396/4885SUV39H1 1625/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI PIM1 2647/4885KMT2A 2396/4885SUV39H1 1625/4885
US-20100152205-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 PIM1 3291/4885KMT2A 4477/4885SUV39H1 4842/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.